5-hydroxy-L-tryptophan   Click here for help

GtoPdb Ligand ID: 4671

Synonyms: 5-hydroxytryptophan
PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 99.34
Molecular weight 220.08
XLogP -1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N
Isomeric SMILES OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N
InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChI Key LDCYZAJDBXYCGN-VIFPVBQESA-N